SCHEMBL23234367

SCHEMBL23234367

O=C(O)c1ccc2c(c1)CCNC2(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
BLM P54132 2/20 0.50
POLB P06746 1/20 0.50
GRM1 Q13255 1/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM1A O60341 2/20 0.46
SRD5A2 P31213 4/20 0.43
SRD5A1 P18405 3/20 0.43
TDP2 O95551 1/20 0.41
RECQL P46063 2/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3440731 0.73 ALDH1A1 (0.69) MAPTKDM4EALDH1A1TDP1BLM
Hydrochloric Acid SCHEMBL7560518 0.71 ALDH1A1 (0.67) MAPTKDM4EALDH1A1TDP1BLM
SCHEMBL29589725 0.70 ALDH1A1 (0.59) MAPTKDM4EALDH1A1
SCHEMBL1026913 0.70 ALDH1A1 (0.59) MAPTKDM4EALDH1A1
SCHEMBL30428318 0.70 ALDH1A1 (0.59) MAPTKDM4EALDH1A1
SCHEMBL1026101 0.70 ALDH1A1 (0.59) MAPTKDM4EALDH1A1
SCHEMBL9477896 0.69 ALDH1A1 (0.83) MAPTKDM4EALDH1A1TDP1BLM
SCHEMBL24400674 0.69 KDM4E (0.62) MAPTKDM4EALDH1A1TDP1BLM
Hydrochloric Acid SCHEMBL15671006 0.69 ALDH1A1 (0.58) MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL22654009 0.69 ALDH1A1 (0.58) MAPTKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807268-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON S.p.A. (IT) 2021-04-21 EP disclosed